N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide

C25H26FN3O4S — CID 55946324

IUPACN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(N4CCCC4)c(F)c3)c2)cc1
InChIInChI=1S/C25H26FN3O4S/c1-17-5-11-21(34(31,32)28-18-6-9-20(33-2)10-7-18)16-22(17)25(30)27-19-8-12-24(23(26)15-19)29-13-3-4-14-29/h5-12,15-16,28H,3-4,13-14H2,1-2H3,(H,27,30)
InChIKeyXWGPTHWDSNKPHS-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.80
Rot. Bonds7

About N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide

N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 55946324) has the molecular formula C25H26FN3O4S and a molecular weight of 483.57 g/mol. Its IUPAC name is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
PubChem CID55946324
Molecular FormulaC25H26FN3O4S
Molecular Weight483.57 g/mol
Exact Mass483.16
IUPAC NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(N4CCCC4)c(F)c3)c2)cc1
InChIInChI=1S/C25H26FN3O4S/c1-17-5-11-21(34(31,32)28-18-6-9-20(33-2)10-7-18)16-22(17)25(30)27-19-8-12-24(23(26)15-19)29-13-3-4-14-29/h5-12,15-16,28H,3-4,13-14H2,1-2H3,(H,27,30)
InChIKeyXWGPTHWDSNKPHS-UHFFFAOYSA-N
XLogP4.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864
N-(5-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55348347
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide
CID 55946709
4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide
CID 55945183
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55725226
methyl 2-bromo-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)sulfamoyl]benzoate
CID 55920968
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048
N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55975460
3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide
CID 4021155
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide
CID 55978421
N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide
CID 4857237

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide (CID 55946324) is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(N4CCCC4)c(F)c3)c2)cc1.
What is the InChIKey of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is XWGPTHWDSNKPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4S/c1-17-5-11-21(34(31,32)28-18-6-9-20(33-2)10-7-18)16-22(17)25(30)27-19-8-12-24(23(26)15-19)29-13-3-4-14-29/h5-12,15-16,28H,3-4,13-14H2,1-2H3,(H,27,30).
What are the key properties of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 483.57 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 55946324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).